CHEMBL3350116


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey HFVDYVQLASNLPU-YCUONVSISA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 13
Rotatable bonds 19
Molecular weight (Da) 1125.5

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Rat Vasopressin and oxytocin A pKd 7.54 7.65 7.77 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKd 7.56 7.56 7.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database